S346-0227 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

S346-0227 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
S346-0227 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0227
N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S346-0227

Molecular Formula

C20H18N4O3 (C20 H18 N4 O3)

Compound Name

N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cc(-c2nnc3n2CCCC3)ccc1

InChI

InChI=1S/C20H18N4O3/c25-20(14-7-8-16-17(11-14)27-12-26-16)21-15-5-3-4-13(10-15)19-23-22-18-6-1-2-9-24(18)19/h3-5,7-8,10-11H,1-2,6,9,12H2,(H,21,25)

InChI Key

YSXRVHXQMUAKLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.37

Polar Surface Area

65.138

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S346-0227 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S346-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0227?
Check Price and Availability of S346-0227, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S346-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0227
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S346-0227 available by request